SCHEMBL28634646

SCHEMBL28634646

O=C(O)C(O)CC(O)C(=O)CO

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
OR51E2 Q9H255 1/20 0.50
TSHR P16473 3/20 0.46
CYP2C9 P11712 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.42
TET2 Q6N021 6/20 0.39
KDM4A O75164 2/20 0.39
KDM4C Q9H3R0 2/20 0.39
KDM2A Q9Y2K7 2/20 0.39
TET3 O43151 2/20 0.39
TET1 Q8NFU7 1/20 0.36
GPR84 Q9NQS5 3/20 0.33
PGK1 P00558 1/20 0.33
PGK2 P07205 1/20 0.33
FFAR1 O14842 1/20 0.33
PDE4A P27815 1/20 0.31
ALDH1A1 P00352 1/20 0.31

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL7856245 0.83 OR51E2 (0.59) OR51E2TSHRSMN1; SMN2TET2KDM4A
SCHEMBL19331462 0.83 OR51E2 (0.59) OR51E2TSHRSMN1; SMN2TET2KDM4A
SCHEMBL9704686 0.83 OR51E2 (0.59) OR51E2TSHRSMN1; SMN2TET2KDM4A
SCHEMBL728172 0.83 OR51E2 (0.59) OR51E2TSHRSMN1; SMN2TET2KDM4A
SCHEMBL28222574 0.74 LMNA (0.40) OR51E2TSHRCYP2C9ALDH1A1
SCHEMBL7538335 0.72 OR51E2 (0.63) OR51E2SMN1; SMN2TET2KDM4AKDM4C
SCHEMBL59986 0.71
SCHEMBL16234794 0.71 OR51E2 (0.53) OR51E2TSHRCYP2C9SMN1; SMN2PDE4A
SCHEMBL15478 0.71
SCHEMBL3917697 0.71

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-106715681-B Improved host cells for production of proteins R·P·谢勒科技有限责任公司 2021-08-24 CN disclosed